input word = C00010963

Metabolite InformationStructural formula
Name [1S-[1alpha(E),3(E),5beta,6alpha]]-5-hydroxy-6-(1-methylethyl)-3-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]-4-oxo-2-cyclohexen-1-yl ester
Formula C20H28O6
Mw 364.18858863
CAS RN 128988-31-8
C_ID C00010963 ,
InChIKey AEZJXKJRWXBLCL-CLVYLMETNA-N
InChICode InChI=1S/C20H28O6/c1-7-12(5)19(23)25-10-14-9-15(26-20(24)13(6)8-2)16(11(3)4)18(22)17(14)21/h7-9,11,15-16,18,22H,10H2,1-6H3/b12-7+,13-8+/t15-,16-,18+/m0/s1
SMILES C/C=C(C)C(=O)OCC1=C[C@H](OC(=O)/C(C)=C/C)[C@H](C(C)C)[C@@H](O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSphaeranthus bullatus Ref.
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OrganismSphaeranthus bullatus
ReferenceJakupovic,Phytochem.,29,(1990),1213